Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

Hanna Kjær; Stephan P.A. Sauer; Jacob Kongsted

doi:10.1063/1.3546033

Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

Hanna Kjær, Stephan P.A. Sauer, Jacob Kongsted

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

Originalsprog	Engelsk
Tidsskrift	The Journal of Chemical Physics
Vol/bind	134
Udgave nummer	4
Sider (fra-til)	044514
ISSN	0021-9606
DOI	https://doi.org/10.1063/1.3546033
Status	Udgivet - 2011

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10.1063/1.3546033

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Citationsformater

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title = "Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide",

author = "Hanna Kj{\ae}r and Sauer, \{Stephan P.A.\} and Jacob Kongsted",

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volume = "134",

pages = "044514",

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Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide. / Kjær, Hanna; Sauer, Stephan P.A.; Kongsted, Jacob.
I: The Journal of Chemical Physics, Bind 134, Nr. 4, 2011, s. 044514.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

TY - JOUR

T1 - Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

AU - Kjær, Hanna

AU - Sauer, Stephan P.A.

AU - Kongsted, Jacob

PY - 2011

Y1 - 2011

U2 - 10.1063/1.3546033

DO - 10.1063/1.3546033

M3 - Journal article

SN - 0021-9606

VL - 134

SP - 044514

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 4

ER -